Structure via PubChem · Public domain (PubChem)
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Chemical data
- Formula
- C45H74BNO15
- Molecular weight
- 879.9 g/mol
- IUPAC name
- [(2R)-1-[(1R)-1-[(1R,5S,7E,11S,13S,16R,17R,24S,25R,27R,31R,33S,36R)-11,31-dihydroxy-12,12,16,25,32,32,36-heptamethyl-3,22-dioxo-4,18,20,23,26,37,38,40,41-nonaoxa-19-boranuidaheptacyclo[17.17.1.11,33.12,19.113,17.124,27.017,21]hentetracont-7-en-5-yl]ethoxy]-3-methyl-1-oxobutan-2-yl]azanium
- SMILES
- [B-]123OC4C(=O)O[C@@H](C/C=C/CC[C@@H](C([C@@H]5CC[C@H]([C@@](O1)(O5)C(O2)C(=O)O[C@H]6C[C@@H](CCC[C@H](C([C@@H]7CC[C@H]([C@@]4(O3)O7)C)(C)C)O)O[C@@H]6C)C)(C)C)O)[C@@H](C)OC(=O)[C@@H](C(C)C)[NH3+]
- InChIKey
- OOBFYEMEQCZLJL-XURNZCJASA-O
- Polar surface area
- 212 Ų
- H-bond donors
- 3
- H-bond acceptors
- 16
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 879.5151510680001
Show 3 more facts
- chemical formula
- C₄₅H₇₄BNO₁₅
- canonical SMILES
- [B-]123OC4C(=O)OC(CC=CCCC(C(C5CCC(C(O1)(O5)C(O2)C(=O)OC6CC(CCCC(C(C7CCC(C4(O3)O7)C)(C)C)O)OC6C)C)(C)C)O)C(C)OC(=O)C(C(C)C)[NH3+]
- isomeric SMILES
- CC(C)[C@@H]([NH3+])C(=O)O[C@H](C)[C@@H]1C/C=C/CC[C@H](O)C(C)(C)[C@@H]2CC[C@@H](C)[C@]3(O2)O[B-]24OC(C(=O)O1)[C@@]1(O[C@@H](CC[C@H]1C)C(C)(C)[C@H](O)CCC[C@@H]1C[C@H](OC(=O)C3O2)[C@@H](C)O1)O4
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